N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide

C17H12N4O2 — CID 1084671

IUPACN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C17H12N4O2/c22-17(15-4-2-8-23-15)19-12-5-6-13-14(9-12)21-16(20-13)11-3-1-7-18-10-11/h1-10H,(H,19,22)(H,20,21)
InChIKeyJDZNTGMSMHYYCY-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.47
Rot. Bonds3

About N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide

N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide (PubChem CID 1084671) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
PubChem CID1084671
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C17H12N4O2/c22-17(15-4-2-8-23-15)19-12-5-6-13-14(9-12)21-16(20-13)11-3-1-7-18-10-11/h1-10H,(H,19,22)(H,20,21)
InChIKeyJDZNTGMSMHYYCY-UHFFFAOYSA-N
XLogP3.47
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide (CID 1084671) is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is JDZNTGMSMHYYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17(15-4-2-8-23-15)19-12-5-6-13-14(9-12)21-16(20-13)11-3-1-7-18-10-11/h1-10H,(H,19,22)(H,20,21).
What are the key properties of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 1084671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).